methyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate
| Internal ID | 87d0aee3-cd0a-4857-a357-ccf444247f7c |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | methyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)OC)N(CCC3=C1)C(=O)CCC(=O)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)OC)N(CCC3=C1)C(=O)CCC(=O)OC)OC |
| InChI | InChI=1S/C25H29NO7/c1-29-18-12-15-10-17-23-14(8-9-26(17)21(27)6-7-22(28)32-4)11-20(31-3)25(33-5)24(23)16(15)13-19(18)30-2/h11-13,17H,6-10H2,1-5H3/t17-/m0/s1 |
| InChI Key | FHAPTVYPHYVHQF-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29NO7 |
| Molecular Weight | 455.50 g/mol |
| Exact Mass | 455.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of methyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/bbb54a40-85a1-11ee-9aca-276165b164ea.jpg "2D Structure of methyl 4-[(6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-4-oxobutanoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.59% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.13% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.78% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.38% | 99.17% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.91% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.67% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.66% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.06% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.00% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.61% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.51% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.99% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.65% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.54% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.20% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.72% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.32% | 89.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.31% | 92.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.62% | 90.71% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.03% | 91.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.10% | 96.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.03% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.47% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Corydalis turtschaninovii |
| PubChem | 163059303 |
| LOTUS | LTS0092568 |
| wikiData | Q104995157 |